SCHEMBL30157907

SCHEMBL30157907

COc1ccc(CCNC(=O)CC2CCC(=O)N2Cc2cccc(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ RECQL P46063 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30157387 0.92 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30157936 0.91 KDM4E (0.49) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30157510 0.90 P2RX7 (0.51) P2RX7ALDH1A1KMT2APOLBHPGD
SCHEMBL30157572 0.90 P2RX7 (0.50) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30157911 0.90 HCRTR1 (0.47) P2RX7ALDH1A1
SCHEMBL30157349 0.89 P2RX7 (0.51) P2RX7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30157682 0.88 ALDH1A1 (0.57) P2RX7ALDH1A1MAPT
SCHEMBL30158625 0.88 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL30157499 0.87 P2RX7 (0.53) P2RX7ALDH1A1MEN1KMT2ARAB9A
SCHEMBL30157463 0.87 NPC1 (0.50) P2RX7MEN1KMT2ARAB9AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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